methyl 2-methoxyacetate

• ChemBase ID: 107937
• Molecular Formular: C4H8O3
• Molecular Mass: 104.10452
• Monoisotopic Mass: 104.04734412
• SMILES: COCC(=O)OC
• Canonical SMILES: COCC(=O)OC
• InChI: InChI=1S/C4H8O3/c1-6-3-4(5)7-2/h3H2,1-2H3
• InChIKey: QRMHDGWGLNLHMN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 2-methoxyacetate
• IUPAC Traditional name: methyl methoxyacetate
• Synonyms: methyl 2-methoxyacetate; METHYL METHOXYACETATE; Methyl methoxyacetate; Methoxyacetic acid methyl ester; 甲氧基乙酸甲酯

Database IDs

• CAS Number: 6290-49-9
• EC Number: 228-539-9
• MDL Number: MFCD00008451
• Beilstein Number: 1742944
• PubChem SID: 24883678; 162094078; 24848936
• PubChem CID: 80507

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.2515732
• LogD (pH = 7.4): -0.2515732
• Log P: -0.2515732
• Molar Refractivity: 23.8662 cm^3
• Polarizability: 9.64128 Å^3
• Polar Surface Area: 35.53 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 129-130 °C(lit.); 129-130°C
• Flash Point: 35 °C; 35°C(95°F); 95 °F
• Density: 1.051; 1.051 g/mL at 25 °C(lit.)
• Refractive Index: 1.3960; n20/D 1.396(lit.); n20/D 1.397
• Hydrophobicity(logP): -0.183

Safety Information

• RTECS: AI8910000
• European Hazard Symbols: Flammable (F)
• UN Number: 3272; UN3272
• German water hazard class: 2
• Hazard Class: 3
• Packing Group: 3; III
• Risk Statements: 10; R:10
• Safety Statements: 16-29-33; S:9-16-29
• TSCA Listed: 是
• GHS Pictograms: GHS02
• GHS Signal Word: Warning
• GHS Hazard statements: H226
• GHS Precautionary statements: P210-P241-P280-P303+P361+P353-P403+P235-P501A
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 3272 3/PG 3

Product Information

• Purity: ≥98.0% (GC); 95%; 95+%; 97%; 99%
• Grade: purum
• Linear Formula: CH3OCH2COOCH3

DETAILS

MP Biomedicals - 05205516

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 149209

Packaging
100 g in glass bottle

REFERENCES

• The ɑ-lithio-derivative adds to ketones in the normal manner. Elimination of water provides a useful synthesis of ɑ-methoxyacrylates: Tetrahedron Lett., 2825 (1977).